Advances in Materials Physics and Chemistry

Volume 2, Issue 4 (December 2012)

ISSN Print: 2162-531X   ISSN Online: 2162-5328

Google-based Impact Factor: 0.65  Citations  h5-index & Ranking

Electronic Structure of Gallium Phosphide Nanocrystals Core and (001)-(1 × 1) Oxidized Surface

HTML  XML Download Download as PDF (Size: 494KB)  PP. 267-274  
DOI: 10.4236/ampc.2012.24039    4,973 Downloads   7,526 Views  Citations

ABSTRACT

The electronic structure of III-V zinc blend Gallium Phosphide nanocrystals is investigated using ab-initio density functional theory coupled with large unit cell for the core and surface parts. Two kinds of cells are investigated: multiple Bravais and multiple primitive cells. The results show that both energy gap and valence band width depend on the shape of the nanocrystal. Results also revealed that most electronic properties converge to some limit as the size of the large unit cell increases. Furthermore, the results have shown that the cohesive energy is decreasing with increasing size of nanocrystals. The core part is more degenerate, with larger energy gap and smaller valance and conduction bands than the surface.

Share and Cite:

M. Abdulsattar, M. Hussein, R. Jamal and T. Kasim, "Electronic Structure of Gallium Phosphide Nanocrystals Core and (001)-(1 × 1) Oxidized Surface," Advances in Materials Physics and Chemistry, Vol. 2 No. 4, 2012, pp. 267-274. doi: 10.4236/ampc.2012.24039.

Cited by

[1] Toxic-Metal-Free Nanocrystals for Technological Applications
2021
[2] Size effects of a nanoobject in magnetic field
2019
[3] Cálculo de la estructura electrónica y de la energía total de los sistemas cristalinos de: germanio (Ge), galio-fósforo (GaP) y silicio-carbón (SiC)
2019
[4] Theoretical Modeling of the Electronic Properties Core and Surface of CdSe1-xTex Chalcogenide Nanocrystals Via DFT Calculation
2016
[5] STUDY THE ELECTRONIC PROPERTIES OF AlAsxP1-x NANOCRYSTAL ALLOYING COMPOSITION, USING DENSITY FUNCTIONAL THEORY
2016
[6] THEORETICAL MODELING OF THE ELECTRONIC PROPERTIES CORE AND SURFACE OF CdSe 1-x Te x CHALCOGENIDE NANOCRYSTALS VIA DFT …
Chalcogenide Letters, 2016
[7] THEORETICAL MODELING OF THE ELECTRONIC PROPERTIES CORE AND SURFACE OF CdSe1-xTex CHALCOGENIDE NANOCRYSTALS VIA DFT …
2016

Copyright © 2024 by authors and Scientific Research Publishing Inc.

Creative Commons License

This work and the related PDF file are licensed under a Creative Commons Attribution 4.0 International License.